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CAS 175277-98-2

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2,4-Dichloro-6-methylbenzonitrile

Description:
2,4-Dichloro-6-methylbenzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with two chlorine atoms and a methyl group, as well as a cyano group (nitrile). The presence of the cyano group contributes to its reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and is known for its moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic nature. It is often used in the synthesis of various pharmaceuticals and agrochemicals, owing to its ability to act as an intermediate in chemical reactions. The dichloro and methyl substitutions influence its electronic properties and steric hindrance, which can affect its reactivity and interaction with biological systems. Safety data sheets indicate that it should be handled with care, as it may pose health risks if inhaled or ingested, and appropriate safety measures should be taken during its use in laboratory or industrial settings.
Formula:C8H5Cl2N
InChI:InChI=1S/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
InChI key:InChIKey=NFPYAMXNKNDVDS-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C=C(Cl)C=C1Cl
Synonyms:
  • 4,6-Dichloro-o-tolunitrile
  • Benzonitrile, 2,4-dichloro-6-methyl-
  • 2,4-Dichloro-6-methylbenzonitrile
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